1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione

C12H8N4O4 — CID 19074506

IUPAC1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione
SMILESNn1c(=O)c(=O)[nH]c2ccc3ccc([N+](=O)[O-])cc3c21
InChIInChI=1S/C12H8N4O4/c13-15-10-8-5-7(16(19)20)3-1-6(8)2-4-9(10)14-11(17)12(15)18/h1-5H,13H2,(H,14,17)
InChIKeyRBABRLZGDZKJKO-UHFFFAOYSA-N
MW272.22 g/mol
LogP0.47
Rot. Bonds1

About 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione

1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione (PubChem CID 19074506) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione
PubChem CID19074506
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione
SMILESNn1c(=O)c(=O)[nH]c2ccc3ccc([N+](=O)[O-])cc3c21
InChIInChI=1S/C12H8N4O4/c13-15-10-8-5-7(16(19)20)3-1-6(8)2-4-9(10)14-11(17)12(15)18/h1-5H,13H2,(H,14,17)
InChIKeyRBABRLZGDZKJKO-UHFFFAOYSA-N
XLogP0.47
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Acea-1328
CID 9816093
5-Nitro-6,7-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10611559
N-(1-Nitro-naphthalen-2-YL)-acetamide
CID 222855
1,4-Dihydrobenzo[g]quinoxaline-2,3-dione
CID 10822409
N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide
CID 169225228
2,3-Dihydroxy-6-nitrobenzo(f)quinoxaline
CID 15066342
1-(Acetylamino)-2-nitro-5,6,7,8-tetrahydronaphtalene
CID 22992373
n-(2-Nitronaphthalen-1-yl)acetamide
CID 250664
6-Nitro-7-(trifluoromethyl)-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 21744157
4-anilino-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 67633912
4-(benzylamino)-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 67633968
4-(2-methylanilino)-6-nitro-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 67634038

Frequently Asked Questions

What is the IUPAC name of 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione?
The IUPAC name of 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione (CID 19074506) is 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione.
What is the SMILES notation for 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione?
The canonical SMILES for 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione is Nn1c(=O)c(=O)[nH]c2ccc3ccc([N+](=O)[O-])cc3c21.
What is the InChIKey of 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione?
The InChIKey is RBABRLZGDZKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4/c13-15-10-8-5-7(16(19)20)3-1-6(8)2-4-9(10)14-11(17)12(15)18/h1-5H,13H2,(H,14,17).
What are the key properties of 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione?
1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione has a molecular weight of 272.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione is sourced from PubChem (CID 19074506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).